methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate

C8H5BrF3NO2 — CID 130109771

IUPACmethyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)nc(Br)c1F
InChIInChI=1S/C8H5BrF3NO2/c1-15-8(14)3-2-4(7(11)12)13-6(9)5(3)10/h2,7H,1H3
InChIKeyUFCVWHUHKWQIBR-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.71
Rot. Bonds2

About methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate

methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate (PubChem CID 130109771) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
PubChem CID130109771
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Namemethyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)nc(Br)c1F
InChIInChI=1S/C8H5BrF3NO2/c1-15-8(14)3-2-4(7(11)12)13-6(9)5(3)10/h2,7H,1H3
InChIKeyUFCVWHUHKWQIBR-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 130070389
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
CID 130082903
methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
CID 130095241
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
methyl 6-bromo-2-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130070404
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate (CID 130109771) is methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate is COC(=O)c1cc(C(F)F)nc(Br)c1F.
What is the InChIKey of methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate?
The InChIKey is UFCVWHUHKWQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c1-15-8(14)3-2-4(7(11)12)13-6(9)5(3)10/h2,7H,1H3.
What are the key properties of methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate?
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate has a molecular weight of 284.03 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 130109771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).